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1827-64-1 | Androstan-3-one, 2,2-difluoro-17-hydroxy-, (5α,17β)- (9CI)
CAS No: 1827-64-1 Catalog No: AG00243H MDL No:
Product Description
Catalog Number:
AG00243H
Chemical Name:
Androstan-3-one, 2,2-difluoro-17-hydroxy-, (5α,17β)- (9CI)
CAS Number:
1827-64-1
Molecular Formula:
C19H28F2O2
Molecular Weight:
326.4212
IUPAC Name:
(5S,8R,9S,10S,13S,14S,17S)-2,2-difluoro-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C19H28F2O2/c1-17-8-7-14-12(13(17)5-6-15(17)22)4-3-11-9-16(23)19(20,21)10-18(11,14)2/h11-15,22H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17-,18-/m0/s1
InChI Key:
ZOOUATSFEZHENS-DJUKHWRNSA-N
SMILES:
O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC(F)(F)C(=O)C2
NSC Number:
50300
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
326.206g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.428g/mol
Monoisotopic Mass:
326.206g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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